9VTF

Structural basis for the inhibition of cystathionine-b-synthase by isoflurane

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Cystathionine beta-synthase	polymer	573	63452.2	4	UniProt (P35520)	Homo sapiens (human)	Beta-thionase,Serine sulfhydrase
2	E, F, G, H (A, B, C, D)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	I (D)	(2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane	non-polymer		184.5	1	Chemie (4LE) PubChem (11095291)

Sequence modifications

A, B, C, D: 1 - 551 (UniProt: P35520)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	253808.9
Non-Polymers*	Number of molecules	5
	Total formula weight	2650.4
All*	Total formula weight	256459.4

*Water molecules are not included.